2-tert-butyl-5,6-dihydroindeno[2,1-b]indole

C19H19N — CID 15082753

IUPAC2-tert-butyl-5,6-dihydroindeno[2,1-b]indole
SMILESCC(C)(C)c1ccc2[nH]c3c(c2c1)-c1ccccc1C3
InChIInChI=1S/C19H19N/c1-19(2,3)13-8-9-16-15(11-13)18-14-7-5-4-6-12(14)10-17(18)20-16/h4-9,11,20H,10H2,1-3H3
InChIKeyXAAOBNZRGNETLM-UHFFFAOYSA-N
MW261.37 g/mol
LogP5.04
Rot. Bonds

About 2-tert-butyl-5,6-dihydroindeno[2,1-b]indole

2-tert-butyl-5,6-dihydroindeno[2,1-b]indole (PubChem CID 15082753) has the molecular formula C19H19N and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-tert-butyl-5,6-dihydroindeno[2,1-b]indole.

Molecular Properties

Compound Name2-tert-butyl-5,6-dihydroindeno[2,1-b]indole
PubChem CID15082753
Molecular FormulaC19H19N
Molecular Weight261.37 g/mol
Exact Mass261.15
IUPAC Name2-tert-butyl-5,6-dihydroindeno[2,1-b]indole
SMILESCC(C)(C)c1ccc2[nH]c3c(c2c1)-c1ccccc1C3
InChIInChI=1S/C19H19N/c1-19(2,3)13-8-9-16-15(11-13)18-14-7-5-4-6-12(14)10-17(18)20-16/h4-9,11,20H,10H2,1-3H3
InChIKeyXAAOBNZRGNETLM-UHFFFAOYSA-N
XLogP5.04
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500261.37
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5,6-dihydroindeno[2,1-b]indole?
The IUPAC name of 2-tert-butyl-5,6-dihydroindeno[2,1-b]indole (CID 15082753) is 2-tert-butyl-5,6-dihydroindeno[2,1-b]indole.
What is the SMILES notation for 2-tert-butyl-5,6-dihydroindeno[2,1-b]indole?
The canonical SMILES for 2-tert-butyl-5,6-dihydroindeno[2,1-b]indole is CC(C)(C)c1ccc2[nH]c3c(c2c1)-c1ccccc1C3.
What is the InChIKey of 2-tert-butyl-5,6-dihydroindeno[2,1-b]indole?
The InChIKey is XAAOBNZRGNETLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N/c1-19(2,3)13-8-9-16-15(11-13)18-14-7-5-4-6-12(14)10-17(18)20-16/h4-9,11,20H,10H2,1-3H3.
What are the key properties of 2-tert-butyl-5,6-dihydroindeno[2,1-b]indole?
2-tert-butyl-5,6-dihydroindeno[2,1-b]indole has a molecular weight of 261.37 g/mol, XLogP of 5.04, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5,6-dihydroindeno[2,1-b]indole is sourced from PubChem (CID 15082753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).